%chk=000222169.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222169

0 1
O 0.962668 2.133579 0.632985
O 3.612705 -2.332463 -0.765532
O -3.307306 -2.420953 -0.793502
O -3.339514 -1.370620 1.180302
N -1.332479 0.990034 0.166260
C 0.807172 -0.150794 0.029544
C 1.511872 -1.323827 -0.306507
C -0.632089 -0.186998 0.034539
C 3.031681 1.049585 0.386705
C 3.743323 -0.108406 0.032164
C 1.536650 1.082656 0.362925
C 3.022333 -1.344271 -0.382668
C -1.276683 -1.461847 -0.119112
C 0.858806 -2.515038 -0.595072
C -0.536807 -2.584085 -0.478345
C 3.727190 2.201957 0.770165
C 5.142282 -0.108702 0.062278
C -2.728908 1.194988 -0.126322
C 5.127629 2.198238 0.801896
C 5.833497 1.046458 0.449103
C -2.700963 -1.675629 0.201985
C -3.502507 1.920008 0.796413
C -3.275416 0.758225 -1.345038
C -4.835447 2.200674 0.489156
C -4.610682 1.049513 -1.631595
C -5.390789 1.769007 -0.720392
H 1.434212 -3.397347 -0.890282
H -1.049724 -3.537010 -0.653997
H -0.811521 1.849645 0.470534
H 3.164678 3.101283 1.042456
H 5.685099 -1.016361 -0.219558
H 5.664085 3.099024 1.102596
H 6.923810 1.042702 0.472734
H -3.075663 2.243079 1.745147
H -2.668163 0.201357 -2.058524
H -5.446499 2.755540 1.201455
H -5.043235 0.715707 -2.574837
H -6.430974 1.991984 -0.951082
H -4.263021 -2.609591 -0.591177


%chk=000222169-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222169

0 1
O 0.835710 2.043483 0.901905
O 3.687041 -2.384256 -0.749542
O -3.287049 -2.862464 -0.613471
O -3.358724 -1.365657 1.158904
N -1.391783 0.844279 0.356336
C 0.774442 -0.242535 0.103767
C 1.530032 -1.386703 -0.310177
C -0.681560 -0.308030 0.102392
C 2.961845 1.032697 0.436575
C 3.718385 -0.100555 0.022134
C 1.473278 0.991028 0.498063
C 3.031561 -1.362261 -0.369225
C -1.305562 -1.586202 -0.166554
C 0.883846 -2.574550 -0.703993
C -0.518193 -2.671933 -0.606779
C 3.634035 2.224031 0.807335
C 5.132834 -0.030677 -0.019124
C -2.721326 1.178768 -0.041394
C 5.041020 2.287737 0.761286
C 5.793409 1.158344 0.347301
C -2.720522 -1.866694 0.205203
C -3.481791 2.031768 0.796004
C -3.249146 0.767011 -1.293466
C -4.763458 2.459434 0.390171
C -4.535462 1.191562 -1.685814
C -5.300141 2.037944 -0.848687
H 1.495481 -3.417463 -1.036030
H -1.023275 -3.615809 -0.829450
H -0.779704 1.615125 0.717954
H 3.031780 3.079890 1.125955
H 5.685335 -0.918938 -0.341132
H 5.555327 3.211769 1.046134
H 6.886689 1.211625 0.313355
H -3.073731 2.335080 1.766027
H -2.649040 0.144636 -1.966035
H -5.346571 3.114653 1.046580
H -4.933696 0.874443 -2.656157
H -6.296673 2.368697 -1.160148
H -4.203341 -3.057977 -0.278404


